(E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate Openeye Name: (E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate CAS Name: (E)-3-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acrylate Formula: C15H20N2O4S MolecularWeight: 324.3953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H20N2O4S/c1-2-16-9-11-17(12-10-16)22(20,21)14-6-3-13(4-7-14)5-8-15(18)19/h3-8H,2,9-12H2,1H3,(H,18,19)/b8-5+